4-nitrohexan-3-yl ethanoate

Systemtic Name: 4-nitrohexan-3-yl ethanoate Openeye Name: (1-ethyl-2-nitro-butyl) acetate CAS Name: acetic acid 4-nitrohexan-3-yl ester IUPAC Name: 4-nitrohexan-3-yl acetate Traditional Name: acetic acid (1-ethyl-2-nitro-butyl) ester Formula: C8H15NO4 MolecularWeight: 189.209

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC)OC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C(CC)OC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C8H15NO4/c1-4-7(9(11)12)8(5-2)13-6(3)10/h7-8H,4-5H2,1-3H3